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| IUPAC Name: | ethyl 3-hydroxy-2,2,4-trimethylpentanoate |
| Description: | 3-Hydroxy-2,2,4-trimethylvaleric Acid Ethyl Ester is a urinary metabolite of the plasticizer 2,2,4-trimethyl-1,3-pentanediol Diisobutyrate (T798120). |
| Molecular Weight: | 188.26 |
| Molecular Formula: | C10H20O3 |
| Canonical SMILES: | CCOC(=O)C(C)(C)C(C(C)C)O |
| InChI: | InChI=1S/C10H20O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7-8,11H,6H2,1-5H3 |
| InChI Key: | XCXVWELTULZAKL-UHFFFAOYSA-N |
| Solubility: | DCM, Ether, Ethyl Acetate |
| Appearance: | Light Yellow Oil |
| References: | Kiyooka, S., et al. J. Org. Chem., 57, 1 (1992); Bieber, L. W., et al. J. Org Chem., 62, 9061 (1997). |
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